![2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid structure](/static/products/401/401583-38-8.png)
2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
TL;DR: 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid (CAS 401583-38-8) is a chemical compound with molecular formula C15H10Cl2O3S and molecular weight 339.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, AI-204/43489596, 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylbenzoic acid, 2-[2-(2,4-dichlorophenyl)-2-oxoethylthio]benzoic acid, 2-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]sulfanylbenzoic Acid
| Molecular Formula | C15H10Cl2O3S |
|---|---|
| Molecular Weight | 339.97 g/mol |
| LogP | 4.6666 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.97278 |
| Heavy Atoms | 21 |
| Complexity | 701.0681 |
Chemical Identifiers
| CAS Number | 401583-38-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid (CAS 401583-38-8), with molecular formula C15H10Cl2O3S and molecular weight 339.97 g/mol. IUPAC: 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
Property Insights of 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
The XLogP value of 4.6666 indicates that 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid?
The CAS number of 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid is 401583-38-8.
What is the molecular formula of 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid is C15H10Cl2O3S.
What is the molecular weight of 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid is 339.97 g/mol.
Where can I buy 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(2,4-Dichlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.